Geometry & MOs

Info

ID:	421479
PubChem CID:	135116073
Reduced:	FO2N4C14H15 (1)
Stoich.:	AB2C4D14E15 (1)
Weight, g/mol:	341.173942
ΔH_f, kcal/mol:	-57.83
Dipole, Da:	0.38
IP(EA), eV:	-9.63(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,4S)-4-benzyl-3-hydroxy-1-[(2-methylpyrimidin-5-yl)methyl]piperidine-4-carboxylic acid

Drug info:

PubChemData

Smile

CC1=NN=C(O1)CN2CCNC(=O)C2C3=CC(=CC=C3)F

DOS

IR

Vibrations